5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide

C15H16FN3O — CID 63668335

IUPAC5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCCc1ccncc1
InChIInChI=1S/C15H16FN3O/c16-12-3-4-14(13(10-12)15(17)18)20-9-1-2-11-5-7-19-8-6-11/h3-8,10H,1-2,9H2,(H3,17,18)
InChIKeyOCYJILJHWICIBR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.52
Rot. Bonds6

About 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide

5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide (PubChem CID 63668335) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
PubChem CID63668335
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCCc1ccncc1
InChIInChI=1S/C15H16FN3O/c16-12-3-4-14(13(10-12)15(17)18)20-9-1-2-11-5-7-19-8-6-11/h3-8,10H,1-2,9H2,(H3,17,18)
InChIKeyOCYJILJHWICIBR-UHFFFAOYSA-N
XLogP2.52
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 63668159
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
CID 113281429
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
5-bromo-N'-hydroxy-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 114892744
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide (CID 63668335) is 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OCCCc1ccncc1.
What is the InChIKey of 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The InChIKey is OCYJILJHWICIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-3-4-14(13(10-12)15(17)18)20-9-1-2-11-5-7-19-8-6-11/h3-8,10H,1-2,9H2,(H3,17,18).
What are the key properties of 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide is sourced from PubChem (CID 63668335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).